(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine

C21H26N4O2 — CID 89419481

IUPAC(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine
SMILESCO/N=C(\C)c1cccc(CCCc2ccc3c(n2)/C(=N/OC)CCC3)n1
InChIInChI=1S/C21H26N4O2/c1-15(24-26-2)19-11-6-10-17(22-19)8-5-9-18-14-13-16-7-4-12-20(25-27-3)21(16)23-18/h6,10-11,13-14H,4-5,7-9,12H2,1-3H3/b24-15+,25-20+
InChIKeyJVXWMNHHNZHECK-CACOIOFQSA-N
MW366.47 g/mol
LogP3.71
Rot. Bonds7

About (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine

(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 89419481) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine
PubChem CID89419481
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine
SMILESCO/N=C(\C)c1cccc(CCCc2ccc3c(n2)/C(=N/OC)CCC3)n1
InChIInChI=1S/C21H26N4O2/c1-15(24-26-2)19-11-6-10-17(22-19)8-5-9-18-14-13-16-7-4-12-20(25-27-3)21(16)23-18/h6,10-11,13-14H,4-5,7-9,12H2,1-3H3/b24-15+,25-20+
InChIKeyJVXWMNHHNZHECK-CACOIOFQSA-N
XLogP3.71
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine (CID 89419481) is (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine is CO/N=C(\C)c1cccc(CCCc2ccc3c(n2)/C(=N/OC)CCC3)n1.
What is the InChIKey of (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is JVXWMNHHNZHECK-CACOIOFQSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(24-26-2)19-11-6-10-17(22-19)8-5-9-18-14-13-16-7-4-12-20(25-27-3)21(16)23-18/h6,10-11,13-14H,4-5,7-9,12H2,1-3H3/b24-15+,25-20+.
What are the key properties of (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine?
(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 366.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 89419481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).